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2,7-DIHYDROISORESERPINE

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2,7-DIHYDROISORESERPINE
SpectraBase Compound ID BTa2T82izPz
InChI InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24+,27-,28+,29-,31+/m1/s1
InChIKey QJBGUWGDVNGYPU-TVNWTYCMSA-N
Mol Weight 610.7 g/mol
Molecular Formula C33H42N2O9
Exact Mass 610.289031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qZBcQA6eft
Name Dihydroisoreserpine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N2O9
InChI InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24+,27-,28+,29-,31+/m1/s1
InChIKey QJBGUWGDVNGYPU-TVNWTYCMSA-N
Molecular Weight 610.704 g/mol
SMILES N1c2cc(ccc2[C@@]2(CCN3[C@]([C@]12[H])(C[C@]1([C@@](C3)(C[C@]([C@@]([C@]1(C(=O)OC)[H])(OC)[H])(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])[H])[H])[H])OC
SPLASH splash10-0w2a-0430903000-40b41fe6949efd7b5dfd
Source of Spectrum H1-51-2947-7
Synonyms (1S,2R,3R,4aS,8aS,13aR,13bS,14aS)-2,11-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,7,8,8a,13,13a,13b,14,14a-tetradecahydroisoquinolino[3,2-a]$b-carboline-1-carboxylic acid methyl ester (2beta,7beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-16-(methoxycarbonyl)-2,7-dihydroyohimban-18-yl 3,4,5-trimethoxybenzoate (1S,2R,10S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,2,3,10,11,12,14,15,16,17,18,19,20,21-tetradecahydroyohimban-19-carboxylic acid methyl ester Methyl (1S,2R,10S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,10,11,12,14,15,16,17,18,19,20,21-tetradecahydroyohimban-19-carboxylate Methyl (1S,2R,10S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxyphenyl)carbonyloxy-1,2,3,10,11,12,14,15,16,17,18,19,20,21-tetradecahydroyohimban-19-carboxylate
Wiley ID 817448